SCHEMBL990628

SCHEMBL990628

Fc1ccc(NNCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
ALOX12 P18054 1/20 0.57
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL989861 1.00 CNR1 (0.57) CNR1MAPTLMNAALOX12MEN1
Hydrochloric Acid SCHEMBL10770594 0.98 MAPT (0.56) CNR1MAPTLMNAALOX12MEN1
SCHEMBL989911 0.91 TAAR1 (0.55) CNR1MAPTLMNAALOX12MEN1
SCHEMBL989796 0.91 TAAR1 (0.55) CNR1MAPTLMNAALOX12MEN1
SCHEMBL991931 0.83 TAAR1 (0.52) MAPTLMNAGAAKMT2ATAAR1
SCHEMBL3989832 0.77 KMT2A (0.46) CNR1MAPTLMNAALOX12MEN1
SCHEMBL990693 0.73 GAA (0.47) CNR1LMNAMEN1GAAKMT2A
SCHEMBL22834268 0.73 CNR1 (1.00) CNR1MAPTLMNAALOX12POLB
SCHEMBL10501653 0.73 DRD2 (0.58) CNR1MAPTLMNAALOX12TAAR1
SCHEMBL2303570 0.73 DRD2 (0.54) CNR1MAPTLMNAALOX12TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed